UCSF

ZINC22931677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 10.88 -36.71 1 3 1 21 302.486 7
Mid Mid (pH 6-8) 3.08 9.94 -36.01 1 3 1 21 302.486 7
Lo Low (pH 4.5-6) 3.08 11.64 -119.07 2 3 2 22 303.494 7
Lo Low (pH 4.5-6) 3.08 10.4 -84.2 2 3 2 22 303.494 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )